N-(2-fluorophenyl)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N-(2-fluorophenyl)-3-[2-(1-methylpyrrol-2-yl)azepan-1-yl]carbonyl-benzenesulfonamide Openeye Name: N-(2-fluorophenyl)-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide CAS Name: N-(2-fluorophenyl)-3-[[2-(1-methyl-2-pyrrolyl)-1-azepanyl]-oxomethyl]benzenesulfonamide IUPAC Name: N-(2-fluorophenyl)-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Traditional Name: N-(2-fluorophenyl)-3-[2-(1-methylpyrrol-2-yl)azepane-1-carbonyl]benzenesulfonamide Formula: C24H26FN3O3S MolecularWeight: 455.544943

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4F

Isomeric SMILES

CN1C=CC=C1C2CCCCCN2C(=O)C3=CC(=CC=C3)S(=O)(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C24H26FN3O3S/c1-27-15-8-14-22(27)23-13-3-2-6-16-28(23)24(29)18-9-7-10-19(17-18)32(30,31)26-21-12-5-4-11-20(21)25/h4-5,7-12,14-15,17,23,26H,2-3,6,13,16H2,1H3